actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate

C10H16AcO5 — CID 22952271

IUPACactinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate
SMILESCOC(=O)CC1(O)CC(O)CC2OC21C.[Ac]
InChIInChI=1S/C10H16O5.Ac/c1-9-7(15-9)3-6(11)4-10(9,13)5-8(12)14-2;/h6-7,11,13H,3-5H2,1-2H3;
InChIKeyJGWRHMPEEUXONK-UHFFFAOYSA-N
MW443.23 g/mol
LogP-0.41
Rot. Bonds2

About actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate

actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate (PubChem CID 22952271) has the molecular formula C10H16AcO5 and a molecular weight of 443.23 g/mol. Its IUPAC name is actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate.

Molecular Properties

Compound Nameactinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate
PubChem CID22952271
Molecular FormulaC10H16AcO5
Molecular Weight443.23 g/mol
Exact Mass443.13
IUPAC Nameactinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate
SMILESCOC(=O)CC1(O)CC(O)CC2OC21C.[Ac]
InChIInChI=1S/C10H16O5.Ac/c1-9-7(15-9)3-6(11)4-10(9,13)5-8(12)14-2;/h6-7,11,13H,3-5H2,1-2H3;
InChIKeyJGWRHMPEEUXONK-UHFFFAOYSA-N
XLogP-0.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate?
The IUPAC name of actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate (CID 22952271) is actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate.
What is the SMILES notation for actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate?
The canonical SMILES for actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate is COC(=O)CC1(O)CC(O)CC2OC21C.[Ac].
What is the InChIKey of actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate?
The InChIKey is JGWRHMPEEUXONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5.Ac/c1-9-7(15-9)3-6(11)4-10(9,13)5-8(12)14-2;/h6-7,11,13H,3-5H2,1-2H3;.
What are the key properties of actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate?
actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate has a molecular weight of 443.23 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate is sourced from PubChem (CID 22952271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).